1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide

C12H22N2O4 — CID 71785163

IUPAC1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide
SMILESCCOC(CNC(=O)C1CN(C(C)=O)C1)OCC
InChIInChI=1S/C12H22N2O4/c1-4-17-11(18-5-2)6-13-12(16)10-7-14(8-10)9(3)15/h10-11H,4-8H2,1-3H3,(H,13,16)
InChIKeyQQUARTGXBTYDMN-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.02
Rot. Bonds7

About 1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide

1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide (PubChem CID 71785163) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide
PubChem CID71785163
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide
SMILESCCOC(CNC(=O)C1CN(C(C)=O)C1)OCC
InChIInChI=1S/C12H22N2O4/c1-4-17-11(18-5-2)6-13-12(16)10-7-14(8-10)9(3)15/h10-11H,4-8H2,1-3H3,(H,13,16)
InChIKeyQQUARTGXBTYDMN-UHFFFAOYSA-N
XLogP-0.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide (CID 71785163) is 1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide is CCOC(CNC(=O)C1CN(C(C)=O)C1)OCC.
What is the InChIKey of 1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide?
The InChIKey is QQUARTGXBTYDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-17-11(18-5-2)6-13-12(16)10-7-14(8-10)9(3)15/h10-11H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide?
1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of -0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,2-diethoxyethyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).